methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate

C12H20N4O2 — CID 114194762

IUPACmethyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NCCCN(C)C
InChIInChI=1S/C12H20N4O2/c1-16(2)6-4-5-14-10-8-15-11(13)7-9(10)12(17)18-3/h7-8,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyCWQKBPWAAXBJRA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.81
Rot. Bonds6

About methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate

methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate (PubChem CID 114194762) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
PubChem CID114194762
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namemethyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NCCCN(C)C
InChIInChI=1S/C12H20N4O2/c1-16(2)6-4-5-14-10-8-15-11(13)7-9(10)12(17)18-3/h7-8,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyCWQKBPWAAXBJRA-UHFFFAOYSA-N
XLogP0.81
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
CID 114195371
methyl 4-amino-3-[3-(dimethylamino)propylamino]benzoate
CID 82785034
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
CID 114194866
methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
CID 114194852

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate (CID 114194762) is methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1NCCCN(C)C.
What is the InChIKey of methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate?
The InChIKey is CWQKBPWAAXBJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(2)6-4-5-14-10-8-15-11(13)7-9(10)12(17)18-3/h7-8,14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate?
methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate is sourced from PubChem (CID 114194762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).